(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol

C9H13ClN2O — CID 130690062

IUPAC(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3/t9-/m1/s1
InChIKeyZQHTYNAAXQOEAF-SECBINFHSA-N
MW200.67 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol

(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol (PubChem CID 130690062) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
PubChem CID130690062
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3/t9-/m1/s1
InChIKeyZQHTYNAAXQOEAF-SECBINFHSA-N
XLogP1.09
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
4-chloro-2-(1,1-difluoroethyl)aniline
CID 123877907
(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
CID 130625511
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(2-amino-5-chlorophenyl)-4-cyclopropylbut-3-yn-2-ol
CID 58211775
(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
CID 130613603

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol (CID 130690062) is (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol is C[C@@](N)(CO)c1cc(Cl)ccc1N.
What is the InChIKey of (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol?
The InChIKey is ZQHTYNAAXQOEAF-SECBINFHSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol?
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol is sourced from PubChem (CID 130690062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).